1-(2-ethoxyethyl)piperazine

• ChemBase ID: 19313
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CCOCC)CCNCC1
• Canonical SMILES: CCOCCN1CCNCC1
• InChI: InChI=1S/C8H18N2O/c1-2-11-8-7-10-5-3-9-4-6-10/h9H,2-8H2,1H3
• InChIKey: TXQLUKMSYDOGDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyethyl)piperazine
• IUPAC Traditional name: 1-(2-ethoxyethyl)piperazine
• Synonyms: 1-(2-Ethoxyethyl)piperazine 97%; 1-(2-ethoxyethyl)piperazine; 1-(2-Ethoxyethyl)piperazine; 1-(2-Ethoxy-ethyl)-piperazine; 1-(2-乙氧基乙基)哌嗪

Database IDs

• CAS Number: 13484-38-3
• MDL Number: MFCD01320899
• PubChem SID: 160982620; 24880330
• PubChem CID: 2734643

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.278978
• LogD (pH = 7.4): -1.9312172
• Log P: -0.035926446
• Molar Refractivity: 46.5356 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 224-225 °C(lit.); 95-97°C
• Flash Point: 134.6 °F; 57 °C
• Refractive Index: n20/D 1.4690(lit.)
• Hydrophobicity(logP): 0.334

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 16-26-36
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95%; 97%
• Bulk Density: 0.941 g/mL
• Empirical Formula (Hill Notation): C8H18N2O

DETAILS

Sigma Aldrich - 566861

Packaging
1 g in glass bottle